6-Bromo-2-tetralone

C10H9BrOCAS 4133-35-1225.08 g/mol

Open in Covalent MOL file
OBr
Aryl halideKetone

Properties

Molecular formula
C10H9BrO
Molar mass
225.08 g/mol
Exact mass
223.9837 Da
Melting point
74.5–75.5 °C
logP
2.51Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4133-35-1
SMILES
O=C1CCc2cc(Br)ccc2C1
InChIKey
BYHKDUFPSJWJDI-UHFFFAOYSA-N
InChI
InChI=1S/C10H9BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2(1H)-Naphthalenone, 6-bromo-3,4-dihydro-
  • 6-Bromo-3,4-dihydro-2(1H)-naphthalenone
  • 6-Bromo-β-tetralone
  • 6-Bromo-3,4-dihydro-1H-naphthalen-2-one
  • 6-Bromo-3,4-dihydronaphthalen-2(1H)-one

Work with 6-Bromo-2-tetralone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Chloro-2-tetralone17556-18-260 % similar 6-Fluoro-1,2,3,4-tetrahydronaphthalen-2-one29419-14-560 % similar 2-Tetralone530-93-856 % similar 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one2472-22-255 % similar 3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-853 % similar 6-Bromoindanone14548-39-153 % similar 5-Bromo-1-indanone34598-49-753 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Bromo-1-tetralone32281-97-3 8-Bromo-3,4-dihydro-2H-naphthalen-1-one651735-60-3 6-Bromo-1-tetralone66361-67-9 5-Bromo-1-tetralone68449-30-9 (4-Bromophenyl)cyclopropylmethanone6952-89-2

Elsewhere

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